(2R)-4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-methylpyrazol-1-yl)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-4-(4-methylphenyl)-2-(3-methyl-1-pyrazolyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-methylpyrazol-1-yl)-4-(p-tolyl)butyrate Formula: C15H15N2O3- MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])N2C=CC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])N2C=CC(=N2)C

InChI

InChI=1S/C15H16N2O3/c1-10-3-5-12(6-4-10)14(18)9-13(15(19)20)17-8-7-11(2)16-17/h3-8,13H,9H2,1-2H3,(H,19,20)/p-1/t13-/m1/s1